1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

C11H11Cl2N3O — CID 70382628

IUPAC1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1Cl)Cn1cncn1
InChIInChI=1S/C11H11Cl2N3O/c12-9-2-1-8(11(13)4-9)3-10(17)5-16-7-14-6-15-16/h1-2,4,6-7,10,17H,3,5H2
InChIKeyXAJZULCOJJHOSF-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.19
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 70382628) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID70382628
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1Cl)Cn1cncn1
InChIInChI=1S/C11H11Cl2N3O/c12-9-2-1-8(11(13)4-9)3-10(17)5-16-7-14-6-15-16/h1-2,4,6-7,10,17H,3,5H2
InChIKeyXAJZULCOJJHOSF-UHFFFAOYSA-N
XLogP2.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 175114799
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19849797
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole
CID 10587009
1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 105086748
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642484
5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol
CID 19022866
2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 23634981
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(2,4-dichlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
CID 15917745
1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole
CID 58921762

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 70382628) is 1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(Cc1ccc(Cl)cc1Cl)Cn1cncn1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is XAJZULCOJJHOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-9-2-1-8(11(13)4-9)3-10(17)5-16-7-14-6-15-16/h1-2,4,6-7,10,17H,3,5H2.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 272.13 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 70382628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).